Details of the Drug

General Information of Drug (ID: DMXVU6D)

Drug Name

Diphemanil Methylsulfate

Synonyms

Demotil; Diphemanil; Diphemanilum; Diphenatil; Diphenmethanil; Nivelon; Nivelona; Prantal; Prantil; Prentol; Talpran; Vagophemanil; Variton; Diphemanil methosulfate; Diphemanil methyl sulfate; Diphemanil methylsulphate; Diphemanil metilsulfate; Diphemanili metilsulfas; Diphenmanil methyl sulfate; Diphenmanil methylsulfate; Diphenmethanil methyl sulfate; Diphenmethanil methylsulfate; Metilsulfate de diphemanil; Metilsulfato de difemanilo; Prantal methylsulfate; Vagophemanil methyl sulfate; Ban-guard; Diphemanil methylsulfate [INN:BAN]; Diphemanil metilsulfate (INN); Diphemanili metilsulfas [INN-Latin]; Metilsulfate de diphemanil [INN-French]; Metilsulfato de difemanilo [INN-Spanish]; Prantal (TN); Ban-Guard (Veterinary); P-(alpha-Phenylbenzylidene)-1,1-dimethylpiperidinium methyl sulfate; N,N-Dimethyl-4-piperidylidene-1,1-diphenylmethane methylsulfate; P-(alpha.-Phenylbenzylidene)-1,1-dimethylpiperidinium methyl sulfate; Piperidinium, 4-(diphenylmethylene)-1,1-dimethyl-, methyl sulfate; 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate; 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methylsulfate; 4-(diphenylmethylidene)-1,1-dimethylpiperidinium methyl sulfate; 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium

Indication

Disease Entry	ICD 11	Status	REF
Peptic ulcer	DA61	Approved	[1]
------------------------------------------------------------------------------------

Therapeutic Class

Parasympatholytics

ATC Code

A03AB15: Diphemanil Methylsulfate

A03AB: Synthetic anticholinergics, quaternary ammonium compounds

A03A: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS

A03: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS

A: ALIMENTARY TRACT AND METABOLISM

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

389.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

ADMET Property

Bioavailability: The bioavailability of drug is 15-25% []

Chemical Identifiers

Formula: C21H27NO4S
IUPAC Name: 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium;methyl sulfate
Canonical SMILES: C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-]
InChI: InChI=1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey: BREMLQBSKCSNNH-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 6126
ChEBI ID: CHEBI:59782
CAS Number: 62-97-5
UNII: Q26TX1UD0W
DrugBank ID: DB13720
TTD ID: D0OK5Q

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M1 (CHRM1)	TTZ9SOR	ACM1_HUMAN	Modulator	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Peptic ulcer

ICD Disease Classification

DA61

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Muscarinic acetylcholine receptor M1 (CHRM1)	DTT	CHRM1	5.59E-01	0.19	0.41

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Drug information of Diphemanil Methylsulfate, 2008. eduDrugs.
2	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.